2-[[1-naphthalen-2-ylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonyl-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[[1-naphthalen-2-ylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonyl-phenethyl-amino]ethanoic acid Openeye Name: 2-[[1-(2-naphthylsulfonyl)-4-tritylsulfanyl-pyrrolidine-2-carbonyl]-phenethyl-amino]acetic acid CAS Name: 2-[[[1-(2-naphthalenylsulfonyl)-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]-oxomethyl]-phenethylamino]acetic acid IUPAC Name: 2-[(1-naphthalen-2-ylsulfonyl-4-tritylsulfanylpyrrolidine-2-carbonyl)-phenethylamino]acetic acid Traditional Name: 2-[[1-(2-naphthylsulfonyl)-4-(tritylthio)prolyl]-phenethyl-amino]acetic acid Formula: C44H40N2O5S2 MolecularWeight: 740.9288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C(CN(C1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H40N2O5S2/c47-42(48)32-45(28-27-33-15-5-1-6-16-33)43(49)41-30-39(31-46(41)53(50,51)40-26-25-34-17-13-14-18-35(34)29-40)52-44(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-26,29,39,41H,27-28,30-32H2,(H,47,48)